N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine

C12H25NO2S — CID 107759484

IUPACN-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine
SMILESCCNC1CCOCC1S(=O)C(C)C(C)C
InChIInChI=1S/C12H25NO2S/c1-5-13-11-6-7-15-8-12(11)16(14)10(4)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyJXCCYESKFWMFRF-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.55
Rot. Bonds5

About N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine

N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine (PubChem CID 107759484) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine
PubChem CID107759484
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine
SMILESCCNC1CCOCC1S(=O)C(C)C(C)C
InChIInChI=1S/C12H25NO2S/c1-5-13-11-6-7-15-8-12(11)16(14)10(4)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyJXCCYESKFWMFRF-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(4-fluorophenyl)sulfinyloxan-4-amine
CID 64658485
3-(2-bromophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64652646
3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine
CID 114792190
3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64659098
N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine
CID 64612141
3-cyclopentylsulfinyl-N-propyloxan-4-amine
CID 64657061
N-ethyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxan-4-amine
CID 103059669
N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine
CID 64655460
3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine
CID 82004456
3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine
CID 78976627
N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82744332
N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496313

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine?
The IUPAC name of N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine (CID 107759484) is N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine.
What is the SMILES notation for N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine?
The canonical SMILES for N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine is CCNC1CCOCC1S(=O)C(C)C(C)C.
What is the InChIKey of N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine?
The InChIKey is JXCCYESKFWMFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-5-13-11-6-7-15-8-12(11)16(14)10(4)9(2)3/h9-13H,5-8H2,1-4H3.
What are the key properties of N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine?
N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine has a molecular weight of 247.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine is sourced from PubChem (CID 107759484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).